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- ChemComp-TG7: 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarbox... -

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Basic information

EntryDatabase: PDB chemical components / ID: TG7
NameName: 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid

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Chemical information

Composition
Formula: C21H15N3O4 / Number of atoms: 43 / Formula weight: 373.362 / Formal charge: 0
Others

6w7k

Type: non-polymer / PDB classification: HETAIN / Three letter code: TG7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6W7K
History
Create componentMar 20, 2020
Initial releaseMar 24, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=O)cc2)c4ccccc4
CACTVS 3.385OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)

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InChIKey

InChI 1.03RSBAGHOCQVUFFP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
OpenEye OEToolkits 2.0.74-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid

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PDB entries

Showing all 1 items

PDB-6w7k:
Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p

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